USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot -136:sc= 1.29 USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0.111 USER MOD Set 2.2: A 57 SER OG : rot -162:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ 134:sc= -0.113 (180deg=-0.701) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 135:sc= -0.0425 (180deg=-0.253) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 2.47 (180deg=2.22) USER MOD Single : A 11 THR OG1 : rot -150:sc= 0.725 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.571 K(o=0.57,f=-0.009) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0678 (180deg=-0.347) USER MOD Single : A 26 GLN : amide:sc=-0.00463 K(o=-0.0046,f=-0.97) USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.448 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0.618 (180deg=0.614) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 40 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0099) USER MOD Single : A 42 THR OG1 : rot 180:sc=0.000388 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0863 (180deg=-0.453) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0352 (180deg=-0.259) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= 2.93 (180deg=2.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.066 -5.300 -6.925 1.00 0.00 N ATOM 2 CA GLY A 1 4.268 -4.168 -5.978 1.00 0.00 C ATOM 3 C GLY A 1 4.602 -4.648 -4.582 1.00 0.00 C ATOM 4 O GLY A 1 5.566 -4.189 -3.970 1.00 0.00 O ATOM 0 H1 GLY A 1 3.208 -5.133 -7.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.887 -5.373 -7.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.962 -6.186 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.072 -3.529 -6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.366 -3.558 -5.945 1.00 0.00 H new ATOM 7 N SER A 2 3.812 -5.576 -4.082 1.00 0.00 N ATOM 8 CA SER A 2 4.031 -6.129 -2.766 1.00 0.00 C ATOM 9 C SER A 2 4.620 -7.529 -2.864 1.00 0.00 C ATOM 10 O SER A 2 3.919 -8.492 -3.185 1.00 0.00 O ATOM 11 CB SER A 2 2.724 -6.147 -1.974 1.00 0.00 C ATOM 12 OG SER A 2 2.232 -4.826 -1.771 1.00 0.00 O ATOM 0 H SER A 2 3.007 -5.964 -4.574 1.00 0.00 H new ATOM 0 HA SER A 2 4.745 -5.497 -2.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.980 -6.738 -2.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.885 -6.631 -1.011 1.00 0.00 H new ATOM 0 HG SER A 2 1.394 -4.863 -1.264 1.00 0.00 H new ATOM 18 N GLY A 3 5.922 -7.626 -2.636 1.00 0.00 N ATOM 19 CA GLY A 3 6.593 -8.913 -2.666 1.00 0.00 C ATOM 20 C GLY A 3 6.972 -9.352 -4.067 1.00 0.00 C ATOM 21 O GLY A 3 7.741 -10.299 -4.241 1.00 0.00 O ATOM 0 H GLY A 3 6.530 -6.833 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 3 7.492 -8.862 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.944 -9.666 -2.219 1.00 0.00 H new ATOM 25 N LYS A 4 6.442 -8.670 -5.068 1.00 0.00 N ATOM 26 CA LYS A 4 6.721 -9.012 -6.452 1.00 0.00 C ATOM 27 C LYS A 4 7.904 -8.232 -6.981 1.00 0.00 C ATOM 28 O LYS A 4 7.868 -7.001 -7.044 1.00 0.00 O ATOM 29 CB LYS A 4 5.508 -8.745 -7.340 1.00 0.00 C ATOM 30 CG LYS A 4 4.291 -9.588 -7.010 1.00 0.00 C ATOM 31 CD LYS A 4 3.195 -9.406 -8.052 1.00 0.00 C ATOM 32 CE LYS A 4 3.627 -9.926 -9.425 1.00 0.00 C ATOM 33 NZ LYS A 4 3.987 -11.370 -9.392 1.00 0.00 N ATOM 0 H LYS A 4 5.815 -7.875 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 4 6.956 -10.076 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.238 -7.692 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.787 -8.923 -8.378 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.576 -10.639 -6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.911 -9.313 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.296 -9.932 -7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.937 -8.350 -8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.820 -9.771 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.481 -9.348 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.557 -11.854 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.021 -11.471 -9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.635 -11.795 -8.511 1.00 0.00 H new ATOM 47 N GLY A 5 8.945 -8.941 -7.351 1.00 0.00 N ATOM 48 CA GLY A 5 10.106 -8.307 -7.924 1.00 0.00 C ATOM 49 C GLY A 5 10.209 -8.613 -9.397 1.00 0.00 C ATOM 50 O GLY A 5 9.201 -8.561 -10.110 1.00 0.00 O ATOM 0 H GLY A 5 9.010 -9.955 -7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.048 -7.229 -7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.004 -8.652 -7.412 1.00 0.00 H new ATOM 54 N LYS A 6 11.417 -8.952 -9.846 1.00 0.00 N ATOM 55 CA LYS A 6 11.675 -9.310 -11.247 1.00 0.00 C ATOM 56 C LYS A 6 11.376 -8.141 -12.187 1.00 0.00 C ATOM 57 O LYS A 6 10.250 -7.984 -12.667 1.00 0.00 O ATOM 58 CB LYS A 6 10.850 -10.544 -11.656 1.00 0.00 C ATOM 59 CG LYS A 6 11.040 -11.749 -10.746 1.00 0.00 C ATOM 60 CD LYS A 6 10.124 -12.894 -11.145 1.00 0.00 C ATOM 61 CE LYS A 6 10.274 -14.080 -10.206 1.00 0.00 C ATOM 62 NZ LYS A 6 9.381 -15.203 -10.584 1.00 0.00 N ATOM 0 H LYS A 6 12.246 -8.987 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 6 12.734 -9.551 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.794 -10.274 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.118 -10.826 -12.674 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.078 -12.079 -10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.839 -11.463 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.089 -12.552 -11.139 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.351 -13.205 -12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.309 -14.421 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.050 -13.766 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.514 -15.991 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.391 -14.886 -10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.611 -15.520 -11.547 1.00 0.00 H new ATOM 76 N GLY A 7 12.384 -7.331 -12.445 1.00 0.00 N ATOM 77 CA GLY A 7 12.221 -6.185 -13.311 1.00 0.00 C ATOM 78 C GLY A 7 12.540 -6.499 -14.761 1.00 0.00 C ATOM 79 O GLY A 7 13.452 -5.902 -15.349 1.00 0.00 O ATOM 0 H GLY A 7 13.324 -7.447 -12.066 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.196 -5.823 -13.239 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.869 -5.379 -12.967 1.00 0.00 H new ATOM 83 N GLU A 8 11.788 -7.448 -15.330 1.00 0.00 N ATOM 84 CA GLU A 8 11.919 -7.862 -16.737 1.00 0.00 C ATOM 85 C GLU A 8 13.234 -8.615 -16.993 1.00 0.00 C ATOM 86 O GLU A 8 13.228 -9.818 -17.268 1.00 0.00 O ATOM 87 CB GLU A 8 11.765 -6.641 -17.677 1.00 0.00 C ATOM 88 CG GLU A 8 11.246 -6.966 -19.079 1.00 0.00 C ATOM 89 CD GLU A 8 12.272 -7.635 -19.962 1.00 0.00 C ATOM 90 OE1 GLU A 8 13.061 -6.914 -20.608 1.00 0.00 O ATOM 91 OE2 GLU A 8 12.290 -8.880 -20.026 1.00 0.00 O ATOM 0 H GLU A 8 11.063 -7.957 -14.824 1.00 0.00 H new ATOM 0 HA GLU A 8 11.113 -8.562 -16.957 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.086 -5.926 -17.211 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.733 -6.148 -17.769 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.374 -7.614 -18.994 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.913 -6.045 -19.557 1.00 0.00 H new ATOM 98 N LYS A 9 14.343 -7.931 -16.857 1.00 0.00 N ATOM 99 CA LYS A 9 15.637 -8.519 -17.126 1.00 0.00 C ATOM 100 C LYS A 9 16.403 -8.714 -15.854 1.00 0.00 C ATOM 101 O LYS A 9 17.273 -7.926 -15.503 1.00 0.00 O ATOM 102 CB LYS A 9 16.441 -7.663 -18.064 1.00 0.00 C ATOM 103 CG LYS A 9 15.939 -7.651 -19.497 1.00 0.00 C ATOM 104 CD LYS A 9 16.883 -6.885 -20.411 1.00 0.00 C ATOM 105 CE LYS A 9 16.417 -6.919 -21.862 1.00 0.00 C ATOM 106 NZ LYS A 9 15.141 -6.187 -22.061 1.00 0.00 N ATOM 0 H LYS A 9 14.377 -6.956 -16.559 1.00 0.00 H new ATOM 0 HA LYS A 9 15.463 -9.487 -17.597 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.447 -6.640 -17.687 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.474 -8.011 -18.058 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.834 -8.675 -19.856 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.948 -7.198 -19.533 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.953 -5.850 -20.076 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.883 -7.312 -20.340 1.00 0.00 H new ATOM 0 HE2 LYS A 9 17.187 -6.483 -22.499 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.292 -7.955 -22.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.976 -6.047 -23.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.358 -6.738 -21.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.194 -5.262 -21.588 1.00 0.00 H new ATOM 120 N CYS A 10 16.045 -9.719 -15.160 1.00 0.00 N ATOM 121 CA CYS A 10 16.709 -10.075 -13.930 1.00 0.00 C ATOM 122 C CYS A 10 17.349 -11.439 -14.030 1.00 0.00 C ATOM 123 O CYS A 10 16.937 -12.277 -14.838 1.00 0.00 O ATOM 124 CB CYS A 10 15.731 -10.036 -12.778 1.00 0.00 C ATOM 125 SG CYS A 10 15.126 -8.393 -12.417 1.00 0.00 S ATOM 0 H CYS A 10 15.276 -10.339 -15.415 1.00 0.00 H new ATOM 0 HA CYS A 10 17.499 -9.346 -13.749 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.885 -10.685 -13.007 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.212 -10.442 -11.888 1.00 0.00 H new ATOM 130 N THR A 11 18.345 -11.660 -13.210 1.00 0.00 N ATOM 131 CA THR A 11 19.063 -12.910 -13.188 1.00 0.00 C ATOM 132 C THR A 11 18.322 -13.920 -12.335 1.00 0.00 C ATOM 133 O THR A 11 17.325 -13.587 -11.700 1.00 0.00 O ATOM 134 CB THR A 11 20.449 -12.703 -12.582 1.00 0.00 C ATOM 135 OG1 THR A 11 20.309 -12.226 -11.232 1.00 0.00 O ATOM 136 CG2 THR A 11 21.225 -11.699 -13.393 1.00 0.00 C ATOM 0 H THR A 11 18.683 -10.974 -12.535 1.00 0.00 H new ATOM 0 HA THR A 11 19.149 -13.274 -14.212 1.00 0.00 H new ATOM 0 HB THR A 11 20.987 -13.651 -12.585 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.079 -11.665 -11.002 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.212 -11.559 -12.952 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.333 -12.062 -14.415 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.693 -10.748 -13.400 1.00 0.00 H new ATOM 144 N SER A 12 18.810 -15.139 -12.304 1.00 0.00 N ATOM 145 CA SER A 12 18.226 -16.153 -11.456 1.00 0.00 C ATOM 146 C SER A 12 18.672 -15.910 -10.014 1.00 0.00 C ATOM 147 O SER A 12 18.082 -16.427 -9.063 1.00 0.00 O ATOM 148 CB SER A 12 18.646 -17.541 -11.932 1.00 0.00 C ATOM 149 OG SER A 12 18.375 -17.701 -13.321 1.00 0.00 O ATOM 0 H SER A 12 19.609 -15.452 -12.855 1.00 0.00 H new ATOM 0 HA SER A 12 17.139 -16.098 -11.506 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.710 -17.689 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.113 -18.303 -11.363 1.00 0.00 H new ATOM 0 HG SER A 12 18.653 -18.596 -13.607 1.00 0.00 H new ATOM 155 N ALA A 13 19.718 -15.098 -9.875 1.00 0.00 N ATOM 156 CA ALA A 13 20.258 -14.721 -8.585 1.00 0.00 C ATOM 157 C ALA A 13 19.372 -13.671 -7.919 1.00 0.00 C ATOM 158 O ALA A 13 19.100 -13.750 -6.722 1.00 0.00 O ATOM 159 CB ALA A 13 21.676 -14.195 -8.752 1.00 0.00 C ATOM 0 H ALA A 13 20.213 -14.684 -10.665 1.00 0.00 H new ATOM 0 HA ALA A 13 20.282 -15.601 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.077 -13.913 -7.778 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.303 -14.971 -9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.666 -13.323 -9.406 1.00 0.00 H new ATOM 165 N CYS A 14 18.922 -12.691 -8.700 1.00 0.00 N ATOM 166 CA CYS A 14 18.034 -11.644 -8.188 1.00 0.00 C ATOM 167 C CYS A 14 16.660 -12.227 -7.869 1.00 0.00 C ATOM 168 O CYS A 14 15.949 -11.740 -6.988 1.00 0.00 O ATOM 169 CB CYS A 14 17.905 -10.493 -9.205 1.00 0.00 C ATOM 170 SG CYS A 14 16.811 -9.135 -8.686 1.00 0.00 S ATOM 0 H CYS A 14 19.156 -12.598 -9.688 1.00 0.00 H new ATOM 0 HA CYS A 14 18.467 -11.243 -7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.897 -10.087 -9.400 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.535 -10.899 -10.147 1.00 0.00 H new ATOM 175 N ARG A 15 16.300 -13.293 -8.578 1.00 0.00 N ATOM 176 CA ARG A 15 15.017 -13.953 -8.367 1.00 0.00 C ATOM 177 C ARG A 15 15.122 -14.970 -7.233 1.00 0.00 C ATOM 178 O ARG A 15 14.158 -15.661 -6.910 1.00 0.00 O ATOM 179 CB ARG A 15 14.550 -14.647 -9.651 1.00 0.00 C ATOM 180 CG ARG A 15 14.531 -13.740 -10.870 1.00 0.00 C ATOM 181 CD ARG A 15 14.092 -14.491 -12.117 1.00 0.00 C ATOM 182 NE ARG A 15 14.577 -13.851 -13.343 1.00 0.00 N ATOM 183 CZ ARG A 15 13.923 -13.840 -14.512 1.00 0.00 C ATOM 184 NH1 ARG A 15 12.698 -14.356 -14.605 1.00 0.00 N ATOM 185 NH2 ARG A 15 14.495 -13.305 -15.585 1.00 0.00 N ATOM 0 H ARG A 15 16.879 -13.717 -9.303 1.00 0.00 H new ATOM 0 HA ARG A 15 14.284 -13.194 -8.094 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.204 -15.496 -9.852 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.549 -15.047 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.856 -12.903 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.524 -13.320 -11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.462 -15.515 -12.072 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.004 -14.546 -12.143 1.00 0.00 H new ATOM 0 HE ARG A 15 15.480 -13.379 -13.303 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.252 -14.763 -13.783 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.206 -14.344 -15.498 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.430 -12.904 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.999 -13.296 -16.476 1.00 0.00 H new ATOM 199 N SER A 16 16.297 -15.049 -6.633 1.00 0.00 N ATOM 200 CA SER A 16 16.541 -15.953 -5.536 1.00 0.00 C ATOM 201 C SER A 16 16.322 -15.212 -4.213 1.00 0.00 C ATOM 202 O SER A 16 16.301 -13.976 -4.186 1.00 0.00 O ATOM 203 CB SER A 16 17.981 -16.492 -5.628 1.00 0.00 C ATOM 204 OG SER A 16 18.188 -17.608 -4.775 1.00 0.00 O ATOM 0 H SER A 16 17.105 -14.486 -6.897 1.00 0.00 H new ATOM 0 HA SER A 16 15.851 -16.796 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.196 -16.778 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.682 -15.700 -5.365 1.00 0.00 H new ATOM 0 HG SER A 16 19.112 -17.921 -4.864 1.00 0.00 H new ATOM 210 N GLU A 17 16.136 -15.953 -3.135 1.00 0.00 N ATOM 211 CA GLU A 17 15.938 -15.352 -1.828 1.00 0.00 C ATOM 212 C GLU A 17 17.000 -15.848 -0.838 1.00 0.00 C ATOM 213 O GLU A 17 17.068 -17.043 -0.538 1.00 0.00 O ATOM 214 CB GLU A 17 14.522 -15.654 -1.301 1.00 0.00 C ATOM 215 CG GLU A 17 14.144 -17.131 -1.326 1.00 0.00 C ATOM 216 CD GLU A 17 12.817 -17.406 -0.659 1.00 0.00 C ATOM 217 OE1 GLU A 17 12.807 -17.722 0.548 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.770 -17.309 -1.335 1.00 0.00 O ATOM 0 H GLU A 17 16.118 -16.973 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 17 16.043 -14.272 -1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.442 -15.288 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.799 -15.096 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.104 -17.474 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.923 -17.709 -0.828 1.00 0.00 H new ATOM 225 N PRO A 18 17.867 -14.945 -0.331 1.00 0.00 N ATOM 226 CA PRO A 18 17.868 -13.516 -0.682 1.00 0.00 C ATOM 227 C PRO A 18 18.544 -13.265 -2.031 1.00 0.00 C ATOM 228 O PRO A 18 18.984 -14.209 -2.695 1.00 0.00 O ATOM 229 CB PRO A 18 18.703 -12.869 0.447 1.00 0.00 C ATOM 230 CG PRO A 18 19.011 -13.975 1.412 1.00 0.00 C ATOM 231 CD PRO A 18 18.912 -15.250 0.634 1.00 0.00 C ATOM 0 HA PRO A 18 16.858 -13.116 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.618 -12.428 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.147 -12.068 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.008 -13.855 1.836 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.308 -13.972 2.245 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.854 -15.503 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.645 -16.094 1.269 1.00 0.00 H new ATOM 239 N CYS A 19 18.635 -11.998 -2.428 1.00 0.00 N ATOM 240 CA CYS A 19 19.262 -11.643 -3.694 1.00 0.00 C ATOM 241 C CYS A 19 20.708 -12.135 -3.717 1.00 0.00 C ATOM 242 O CYS A 19 21.506 -11.803 -2.838 1.00 0.00 O ATOM 243 CB CYS A 19 19.211 -10.133 -3.923 1.00 0.00 C ATOM 244 SG CYS A 19 19.622 -9.632 -5.611 1.00 0.00 S ATOM 0 H CYS A 19 18.283 -11.204 -1.892 1.00 0.00 H new ATOM 0 HA CYS A 19 18.710 -12.126 -4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.211 -9.773 -3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.901 -9.647 -3.233 1.00 0.00 H new ATOM 249 N GLN A 20 21.033 -12.934 -4.713 1.00 0.00 N ATOM 250 CA GLN A 20 22.354 -13.542 -4.812 1.00 0.00 C ATOM 251 C GLN A 20 23.241 -12.804 -5.815 1.00 0.00 C ATOM 252 O GLN A 20 24.258 -13.340 -6.270 1.00 0.00 O ATOM 253 CB GLN A 20 22.212 -15.008 -5.226 1.00 0.00 C ATOM 254 CG GLN A 20 21.381 -15.851 -4.268 1.00 0.00 C ATOM 255 CD GLN A 20 22.000 -15.960 -2.891 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.819 -16.841 -2.635 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.590 -15.096 -1.990 1.00 0.00 N ATOM 0 H GLN A 20 20.399 -13.182 -5.473 1.00 0.00 H new ATOM 0 HA GLN A 20 22.831 -13.476 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.759 -15.052 -6.217 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.206 -15.448 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.385 -15.417 -4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.257 -16.850 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.909 -14.380 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.953 -15.141 -1.038 1.00 0.00 H new ATOM 266 N CYS A 21 22.879 -11.573 -6.138 1.00 0.00 N ATOM 267 CA CYS A 21 23.634 -10.787 -7.107 1.00 0.00 C ATOM 268 C CYS A 21 24.833 -10.096 -6.480 1.00 0.00 C ATOM 269 O CYS A 21 25.484 -9.269 -7.118 1.00 0.00 O ATOM 270 CB CYS A 21 22.732 -9.773 -7.770 1.00 0.00 C ATOM 271 SG CYS A 21 21.405 -10.513 -8.717 1.00 0.00 S ATOM 0 H CYS A 21 22.068 -11.095 -5.745 1.00 0.00 H new ATOM 0 HA CYS A 21 24.017 -11.478 -7.858 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.305 -9.123 -7.006 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.329 -9.141 -8.428 1.00 0.00 H new ATOM 276 N GLY A 22 25.133 -10.444 -5.240 1.00 0.00 N ATOM 277 CA GLY A 22 26.280 -9.873 -4.576 1.00 0.00 C ATOM 278 C GLY A 22 27.563 -10.262 -5.270 1.00 0.00 C ATOM 279 O GLY A 22 28.494 -9.467 -5.367 1.00 0.00 O ATOM 0 H GLY A 22 24.601 -11.112 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.189 -8.787 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.308 -10.209 -3.539 1.00 0.00 H new ATOM 283 N SER A 23 27.609 -11.490 -5.761 1.00 0.00 N ATOM 284 CA SER A 23 28.774 -11.980 -6.464 1.00 0.00 C ATOM 285 C SER A 23 28.595 -11.873 -7.980 1.00 0.00 C ATOM 286 O SER A 23 29.558 -11.647 -8.709 1.00 0.00 O ATOM 287 CB SER A 23 29.057 -13.429 -6.072 1.00 0.00 C ATOM 288 OG SER A 23 29.113 -13.575 -4.663 1.00 0.00 O ATOM 0 H SER A 23 26.848 -12.165 -5.683 1.00 0.00 H new ATOM 0 HA SER A 23 29.623 -11.359 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 23 28.280 -14.077 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.001 -13.750 -6.512 1.00 0.00 H new ATOM 0 HG SER A 23 29.294 -14.512 -4.438 1.00 0.00 H new ATOM 294 N LYS A 24 27.367 -12.031 -8.451 1.00 0.00 N ATOM 295 CA LYS A 24 27.106 -11.969 -9.878 1.00 0.00 C ATOM 296 C LYS A 24 25.822 -11.205 -10.183 1.00 0.00 C ATOM 297 O LYS A 24 24.718 -11.712 -9.987 1.00 0.00 O ATOM 298 CB LYS A 24 27.054 -13.385 -10.492 1.00 0.00 C ATOM 299 CG LYS A 24 25.992 -14.301 -9.883 1.00 0.00 C ATOM 300 CD LYS A 24 25.918 -15.643 -10.599 1.00 0.00 C ATOM 301 CE LYS A 24 27.177 -16.465 -10.385 1.00 0.00 C ATOM 302 NZ LYS A 24 27.396 -16.782 -8.952 1.00 0.00 N ATOM 0 H LYS A 24 26.545 -12.201 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 24 27.932 -11.425 -10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.869 -13.297 -11.563 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.031 -13.854 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.215 -14.464 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.020 -13.811 -9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.054 -16.201 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.768 -15.478 -11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.106 -17.392 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.037 -15.918 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.077 -17.564 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.771 -15.943 -8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 26.494 -17.062 -8.517 1.00 0.00 H new ATOM 316 N CYS A 25 25.963 -9.987 -10.638 1.00 0.00 N ATOM 317 CA CYS A 25 24.816 -9.214 -11.026 1.00 0.00 C ATOM 318 C CYS A 25 24.829 -8.994 -12.519 1.00 0.00 C ATOM 319 O CYS A 25 25.722 -8.334 -13.061 1.00 0.00 O ATOM 320 CB CYS A 25 24.753 -7.885 -10.298 1.00 0.00 C ATOM 321 SG CYS A 25 23.214 -6.984 -10.619 1.00 0.00 S ATOM 0 H CYS A 25 26.859 -9.512 -10.748 1.00 0.00 H new ATOM 0 HA CYS A 25 23.925 -9.777 -10.748 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.851 -8.057 -9.226 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.600 -7.269 -10.601 1.00 0.00 H new ATOM 326 N GLN A 26 23.848 -9.557 -13.179 1.00 0.00 N ATOM 327 CA GLN A 26 23.747 -9.482 -14.619 1.00 0.00 C ATOM 328 C GLN A 26 22.374 -8.971 -15.030 1.00 0.00 C ATOM 329 O GLN A 26 21.920 -9.221 -16.145 1.00 0.00 O ATOM 330 CB GLN A 26 24.008 -10.867 -15.223 1.00 0.00 C ATOM 331 CG GLN A 26 25.432 -11.366 -15.013 1.00 0.00 C ATOM 332 CD GLN A 26 25.619 -12.811 -15.426 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.691 -13.615 -15.359 1.00 0.00 O ATOM 334 NE2 GLN A 26 26.816 -13.151 -15.849 1.00 0.00 N ATOM 0 H GLN A 26 23.095 -10.082 -12.734 1.00 0.00 H new ATOM 0 HA GLN A 26 24.495 -8.783 -14.994 1.00 0.00 H new ATOM 0 HB2 GLN A 26 23.313 -11.582 -14.784 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.798 -10.833 -16.292 1.00 0.00 H new ATOM 0 HG2 GLN A 26 26.118 -10.739 -15.582 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.698 -11.257 -13.962 1.00 0.00 H new ATOM 0 HE21 GLN A 26 27.560 -12.454 -15.890 1.00 0.00 H new ATOM 0 HE22 GLN A 26 27.001 -14.112 -16.137 1.00 0.00 H new ATOM 343 N CYS A 27 21.711 -8.257 -14.119 1.00 0.00 N ATOM 344 CA CYS A 27 20.398 -7.694 -14.406 1.00 0.00 C ATOM 345 C CYS A 27 20.477 -6.709 -15.567 1.00 0.00 C ATOM 346 O CYS A 27 21.549 -6.175 -15.872 1.00 0.00 O ATOM 347 CB CYS A 27 19.795 -7.039 -13.160 1.00 0.00 C ATOM 348 SG CYS A 27 19.324 -8.222 -11.874 1.00 0.00 S ATOM 0 H CYS A 27 22.062 -8.058 -13.182 1.00 0.00 H new ATOM 0 HA CYS A 27 19.736 -8.508 -14.701 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.515 -6.333 -12.746 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.916 -6.463 -13.452 1.00 0.00 H new ATOM 353 N GLY A 28 19.359 -6.483 -16.214 1.00 0.00 N ATOM 354 CA GLY A 28 19.350 -5.663 -17.394 1.00 0.00 C ATOM 355 C GLY A 28 19.092 -4.193 -17.152 1.00 0.00 C ATOM 356 O GLY A 28 19.984 -3.453 -16.729 1.00 0.00 O ATOM 0 H GLY A 28 18.449 -6.855 -15.942 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.310 -5.769 -17.899 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.588 -6.042 -18.075 1.00 0.00 H new ATOM 360 N GLU A 29 17.869 -3.776 -17.419 1.00 0.00 N ATOM 361 CA GLU A 29 17.511 -2.368 -17.397 1.00 0.00 C ATOM 362 C GLU A 29 16.677 -1.954 -16.169 1.00 0.00 C ATOM 363 O GLU A 29 17.222 -1.482 -15.173 1.00 0.00 O ATOM 364 CB GLU A 29 16.790 -2.014 -18.706 1.00 0.00 C ATOM 365 CG GLU A 29 15.837 -3.108 -19.194 1.00 0.00 C ATOM 366 CD GLU A 29 15.257 -2.827 -20.556 1.00 0.00 C ATOM 367 OE1 GLU A 29 14.506 -1.841 -20.693 1.00 0.00 O ATOM 368 OE2 GLU A 29 15.525 -3.608 -21.489 1.00 0.00 O ATOM 0 H GLU A 29 17.098 -4.400 -17.656 1.00 0.00 H new ATOM 0 HA GLU A 29 18.437 -1.799 -17.311 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.228 -1.091 -18.564 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.533 -1.819 -19.479 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.370 -4.059 -19.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.024 -3.219 -18.476 1.00 0.00 H new ATOM 375 N GLY A 30 15.365 -2.146 -16.244 1.00 0.00 N ATOM 376 CA GLY A 30 14.484 -1.695 -15.188 1.00 0.00 C ATOM 377 C GLY A 30 14.366 -2.662 -14.035 1.00 0.00 C ATOM 378 O GLY A 30 13.298 -3.226 -13.803 1.00 0.00 O ATOM 0 H GLY A 30 14.896 -2.609 -17.022 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.845 -0.738 -14.811 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.492 -1.520 -15.605 1.00 0.00 H new ATOM 382 N CYS A 31 15.453 -2.846 -13.307 1.00 0.00 N ATOM 383 CA CYS A 31 15.439 -3.696 -12.141 1.00 0.00 C ATOM 384 C CYS A 31 14.720 -2.971 -11.030 1.00 0.00 C ATOM 385 O CYS A 31 14.886 -1.757 -10.852 1.00 0.00 O ATOM 386 CB CYS A 31 16.862 -4.068 -11.702 1.00 0.00 C ATOM 387 SG CYS A 31 16.928 -5.176 -10.263 1.00 0.00 S ATOM 0 H CYS A 31 16.356 -2.415 -13.507 1.00 0.00 H new ATOM 0 HA CYS A 31 14.922 -4.625 -12.382 1.00 0.00 H new ATOM 0 HB2 CYS A 31 17.376 -4.544 -12.537 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.410 -3.155 -11.469 1.00 0.00 H new ATOM 392 N THR A 32 13.922 -3.684 -10.296 1.00 0.00 N ATOM 393 CA THR A 32 13.138 -3.078 -9.268 1.00 0.00 C ATOM 394 C THR A 32 13.604 -3.535 -7.884 1.00 0.00 C ATOM 395 O THR A 32 12.922 -3.327 -6.877 1.00 0.00 O ATOM 396 CB THR A 32 11.640 -3.376 -9.494 1.00 0.00 C ATOM 397 OG1 THR A 32 10.832 -2.583 -8.613 1.00 0.00 O ATOM 398 CG2 THR A 32 11.326 -4.854 -9.290 1.00 0.00 C ATOM 0 H THR A 32 13.797 -4.692 -10.392 1.00 0.00 H new ATOM 0 HA THR A 32 13.275 -1.998 -9.313 1.00 0.00 H new ATOM 0 HB THR A 32 11.408 -3.118 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.246 -2.555 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.263 -5.027 -9.457 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.906 -5.450 -9.995 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.585 -5.144 -8.272 1.00 0.00 H new ATOM 406 N CYS A 33 14.780 -4.127 -7.841 1.00 0.00 N ATOM 407 CA CYS A 33 15.352 -4.573 -6.596 1.00 0.00 C ATOM 408 C CYS A 33 16.310 -3.518 -6.065 1.00 0.00 C ATOM 409 O CYS A 33 16.931 -2.792 -6.835 1.00 0.00 O ATOM 410 CB CYS A 33 16.078 -5.905 -6.786 1.00 0.00 C ATOM 411 SG CYS A 33 16.756 -6.601 -5.260 1.00 0.00 S ATOM 0 H CYS A 33 15.358 -4.309 -8.661 1.00 0.00 H new ATOM 0 HA CYS A 33 14.551 -4.722 -5.872 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.386 -6.624 -7.225 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.889 -5.766 -7.501 1.00 0.00 H new ATOM 416 N ALA A 34 16.420 -3.429 -4.755 1.00 0.00 N ATOM 417 CA ALA A 34 17.297 -2.456 -4.134 1.00 0.00 C ATOM 418 C ALA A 34 18.519 -3.136 -3.531 1.00 0.00 C ATOM 419 O ALA A 34 19.334 -2.497 -2.870 1.00 0.00 O ATOM 420 CB ALA A 34 16.541 -1.667 -3.074 1.00 0.00 C ATOM 0 H ALA A 34 15.912 -4.020 -4.098 1.00 0.00 H new ATOM 0 HA ALA A 34 17.643 -1.763 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.211 -0.940 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.702 -1.147 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.168 -2.349 -2.310 1.00 0.00 H new ATOM 426 N ALA A 35 18.645 -4.433 -3.769 1.00 0.00 N ATOM 427 CA ALA A 35 19.764 -5.199 -3.243 1.00 0.00 C ATOM 428 C ALA A 35 20.974 -5.095 -4.157 1.00 0.00 C ATOM 429 O ALA A 35 22.095 -4.875 -3.701 1.00 0.00 O ATOM 430 CB ALA A 35 19.368 -6.653 -3.050 1.00 0.00 C ATOM 0 H ALA A 35 17.985 -4.977 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 35 20.035 -4.779 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.217 -7.212 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.536 -6.713 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.067 -7.078 -4.007 1.00 0.00 H new ATOM 436 N CYS A 36 20.740 -5.232 -5.445 1.00 0.00 N ATOM 437 CA CYS A 36 21.810 -5.192 -6.425 1.00 0.00 C ATOM 438 C CYS A 36 21.883 -3.835 -7.136 1.00 0.00 C ATOM 439 O CYS A 36 22.798 -3.583 -7.928 1.00 0.00 O ATOM 440 CB CYS A 36 21.599 -6.313 -7.423 1.00 0.00 C ATOM 441 SG CYS A 36 19.911 -6.400 -8.056 1.00 0.00 S ATOM 0 H CYS A 36 19.811 -5.373 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 36 22.762 -5.327 -5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.286 -6.180 -8.259 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.852 -7.262 -6.951 1.00 0.00 H new ATOM 446 N LYS A 37 20.931 -2.962 -6.844 1.00 0.00 N ATOM 447 CA LYS A 37 20.897 -1.646 -7.455 1.00 0.00 C ATOM 448 C LYS A 37 21.844 -0.700 -6.727 1.00 0.00 C ATOM 449 O LYS A 37 21.653 -0.398 -5.547 1.00 0.00 O ATOM 450 CB LYS A 37 19.473 -1.084 -7.442 1.00 0.00 C ATOM 451 CG LYS A 37 19.334 0.262 -8.132 1.00 0.00 C ATOM 452 CD LYS A 37 17.935 0.829 -7.966 1.00 0.00 C ATOM 453 CE LYS A 37 17.781 2.141 -8.718 1.00 0.00 C ATOM 454 NZ LYS A 37 16.466 2.778 -8.463 1.00 0.00 N ATOM 0 H LYS A 37 20.172 -3.143 -6.187 1.00 0.00 H new ATOM 0 HA LYS A 37 21.223 -1.739 -8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.807 -1.799 -7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.141 -0.987 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.062 0.960 -7.720 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.561 0.154 -9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.202 0.109 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.727 0.987 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.578 2.824 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.895 1.961 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.416 3.686 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.706 2.153 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.352 2.943 -7.442 1.00 0.00 H new ATOM 468 N THR A 38 22.865 -0.245 -7.423 1.00 0.00 N ATOM 469 CA THR A 38 23.837 0.649 -6.837 1.00 0.00 C ATOM 470 C THR A 38 23.997 1.916 -7.689 1.00 0.00 C ATOM 471 O THR A 38 23.453 2.008 -8.802 1.00 0.00 O ATOM 472 CB THR A 38 25.210 -0.057 -6.659 1.00 0.00 C ATOM 473 OG1 THR A 38 26.116 0.790 -5.938 1.00 0.00 O ATOM 474 CG2 THR A 38 25.816 -0.422 -8.011 1.00 0.00 C ATOM 0 H THR A 38 23.042 -0.482 -8.399 1.00 0.00 H new ATOM 0 HA THR A 38 23.470 0.937 -5.852 1.00 0.00 H new ATOM 0 HB THR A 38 25.045 -0.973 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.976 0.333 -5.831 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.776 -0.915 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.143 -1.096 -8.542 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.962 0.483 -8.600 1.00 0.00 H new ATOM 482 N CYS A 39 24.730 2.881 -7.167 1.00 0.00 N ATOM 483 CA CYS A 39 24.960 4.137 -7.847 1.00 0.00 C ATOM 484 C CYS A 39 26.245 4.767 -7.336 1.00 0.00 C ATOM 485 O CYS A 39 26.614 4.585 -6.174 1.00 0.00 O ATOM 486 CB CYS A 39 23.780 5.085 -7.624 1.00 0.00 C ATOM 487 SG CYS A 39 23.914 6.665 -8.486 1.00 0.00 S ATOM 0 H CYS A 39 25.183 2.813 -6.256 1.00 0.00 H new ATOM 0 HA CYS A 39 25.055 3.951 -8.917 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.865 4.587 -7.945 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.681 5.276 -6.555 1.00 0.00 H new ATOM 492 N ASN A 40 26.926 5.494 -8.200 1.00 0.00 N ATOM 493 CA ASN A 40 28.182 6.124 -7.829 1.00 0.00 C ATOM 494 C ASN A 40 28.057 7.634 -7.727 1.00 0.00 C ATOM 495 O ASN A 40 28.961 8.300 -7.223 1.00 0.00 O ATOM 496 CB ASN A 40 29.315 5.725 -8.779 1.00 0.00 C ATOM 497 CG ASN A 40 29.886 4.356 -8.446 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.832 4.239 -7.671 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.315 3.315 -9.022 1.00 0.00 N ATOM 0 H ASN A 40 26.633 5.664 -9.162 1.00 0.00 H new ATOM 0 HA ASN A 40 28.436 5.755 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.944 5.723 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.109 6.470 -8.729 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.657 2.374 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.531 3.452 -9.660 1.00 0.00 H new ATOM 506 N CYS A 41 26.958 8.188 -8.217 1.00 0.00 N ATOM 507 CA CYS A 41 26.722 9.605 -8.059 1.00 0.00 C ATOM 508 C CYS A 41 26.207 9.856 -6.649 1.00 0.00 C ATOM 509 O CYS A 41 25.344 9.131 -6.158 1.00 0.00 O ATOM 510 CB CYS A 41 25.739 10.131 -9.114 1.00 0.00 C ATOM 511 SG CYS A 41 26.325 9.944 -10.840 1.00 0.00 S ATOM 0 H CYS A 41 26.228 7.682 -8.719 1.00 0.00 H new ATOM 0 HA CYS A 41 27.656 10.147 -8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.790 9.606 -9.005 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.544 11.186 -8.920 1.00 0.00 H new ATOM 516 N THR A 42 26.753 10.849 -5.998 1.00 0.00 N ATOM 517 CA THR A 42 26.421 11.128 -4.619 1.00 0.00 C ATOM 518 C THR A 42 25.429 12.267 -4.506 1.00 0.00 C ATOM 519 O THR A 42 25.076 12.897 -5.502 1.00 0.00 O ATOM 520 CB THR A 42 27.690 11.480 -3.820 1.00 0.00 C ATOM 521 OG1 THR A 42 28.425 12.501 -4.514 1.00 0.00 O ATOM 522 CG2 THR A 42 28.573 10.253 -3.640 1.00 0.00 C ATOM 0 H THR A 42 27.438 11.487 -6.403 1.00 0.00 H new ATOM 0 HA THR A 42 25.965 10.228 -4.207 1.00 0.00 H new ATOM 0 HB THR A 42 27.392 11.841 -2.836 1.00 0.00 H new ATOM 0 HG1 THR A 42 29.232 12.727 -4.005 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.463 10.525 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 42 28.021 9.483 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.868 9.871 -4.617 1.00 0.00 H new ATOM 530 N SER A 43 25.004 12.548 -3.283 1.00 0.00 N ATOM 531 CA SER A 43 24.073 13.631 -3.011 1.00 0.00 C ATOM 532 C SER A 43 24.769 14.988 -3.117 1.00 0.00 C ATOM 533 O SER A 43 24.189 16.030 -2.807 1.00 0.00 O ATOM 534 CB SER A 43 23.443 13.435 -1.638 1.00 0.00 C ATOM 535 OG SER A 43 22.761 12.186 -1.580 1.00 0.00 O ATOM 0 H SER A 43 25.295 12.032 -2.453 1.00 0.00 H new ATOM 0 HA SER A 43 23.281 13.615 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.214 13.472 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.746 14.247 -1.431 1.00 0.00 H new ATOM 0 HG SER A 43 22.362 12.072 -0.692 1.00 0.00 H new ATOM 541 N ASP A 44 26.013 14.956 -3.557 1.00 0.00 N ATOM 542 CA ASP A 44 26.780 16.158 -3.782 1.00 0.00 C ATOM 543 C ASP A 44 26.494 16.689 -5.176 1.00 0.00 C ATOM 544 O ASP A 44 26.535 17.895 -5.418 1.00 0.00 O ATOM 545 CB ASP A 44 28.270 15.866 -3.632 1.00 0.00 C ATOM 546 CG ASP A 44 29.129 17.070 -3.931 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.285 17.930 -3.040 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.661 17.162 -5.049 1.00 0.00 O ATOM 0 H ASP A 44 26.516 14.094 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 44 26.494 16.908 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.469 15.525 -2.616 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.546 15.052 -4.302 1.00 0.00 H new ATOM 553 N GLY A 45 26.185 15.780 -6.082 1.00 0.00 N ATOM 554 CA GLY A 45 25.892 16.150 -7.439 1.00 0.00 C ATOM 555 C GLY A 45 26.016 14.975 -8.378 1.00 0.00 C ATOM 556 O GLY A 45 26.784 14.041 -8.119 1.00 0.00 O ATOM 0 H GLY A 45 26.132 14.779 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.882 16.556 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.571 16.942 -7.755 1.00 0.00 H new ATOM 560 N CYS A 46 25.258 15.008 -9.455 1.00 0.00 N ATOM 561 CA CYS A 46 25.294 13.956 -10.449 1.00 0.00 C ATOM 562 C CYS A 46 26.588 14.043 -11.238 1.00 0.00 C ATOM 563 O CYS A 46 27.083 15.138 -11.511 1.00 0.00 O ATOM 564 CB CYS A 46 24.097 14.079 -11.390 1.00 0.00 C ATOM 565 SG CYS A 46 24.010 12.790 -12.652 1.00 0.00 S ATOM 0 H CYS A 46 24.603 15.761 -9.665 1.00 0.00 H new ATOM 0 HA CYS A 46 25.245 12.990 -9.947 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.181 14.056 -10.799 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.134 15.051 -11.882 1.00 0.00 H new ATOM 570 N LYS A 47 27.139 12.900 -11.595 1.00 0.00 N ATOM 571 CA LYS A 47 28.393 12.868 -12.322 1.00 0.00 C ATOM 572 C LYS A 47 28.261 12.150 -13.659 1.00 0.00 C ATOM 573 O LYS A 47 29.018 12.422 -14.586 1.00 0.00 O ATOM 574 CB LYS A 47 29.484 12.209 -11.476 1.00 0.00 C ATOM 575 CG LYS A 47 29.853 12.992 -10.224 1.00 0.00 C ATOM 576 CD LYS A 47 30.931 12.286 -9.420 1.00 0.00 C ATOM 577 CE LYS A 47 31.400 13.139 -8.249 1.00 0.00 C ATOM 578 NZ LYS A 47 31.966 14.438 -8.702 1.00 0.00 N ATOM 0 H LYS A 47 26.740 11.983 -11.394 1.00 0.00 H new ATOM 0 HA LYS A 47 28.673 13.901 -12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.151 11.213 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.377 12.081 -12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.200 13.986 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.966 13.128 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 47 30.547 11.336 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.778 12.056 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 47 30.563 13.323 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 47 32.153 12.593 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.540 14.851 -7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.562 14.283 -9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.192 15.089 -8.944 1.00 0.00 H new ATOM 592 N CYS A 48 27.302 11.247 -13.765 1.00 0.00 N ATOM 593 CA CYS A 48 27.132 10.478 -14.992 1.00 0.00 C ATOM 594 C CYS A 48 26.432 11.312 -16.067 1.00 0.00 C ATOM 595 O CYS A 48 26.720 11.176 -17.257 1.00 0.00 O ATOM 596 CB CYS A 48 26.339 9.205 -14.716 1.00 0.00 C ATOM 597 SG CYS A 48 24.560 9.458 -14.621 1.00 0.00 S ATOM 0 H CYS A 48 26.634 11.027 -13.026 1.00 0.00 H new ATOM 0 HA CYS A 48 28.121 10.205 -15.360 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.551 8.479 -15.501 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.685 8.770 -13.778 1.00 0.00 H new ATOM 602 N GLY A 49 25.511 12.171 -15.640 1.00 0.00 N ATOM 603 CA GLY A 49 24.799 13.014 -16.579 1.00 0.00 C ATOM 604 C GLY A 49 23.324 12.655 -16.702 1.00 0.00 C ATOM 605 O GLY A 49 22.589 13.290 -17.457 1.00 0.00 O ATOM 0 H GLY A 49 25.247 12.297 -14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.889 14.054 -16.266 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.269 12.935 -17.559 1.00 0.00 H new ATOM 609 N LYS A 50 22.889 11.640 -15.965 1.00 0.00 N ATOM 610 CA LYS A 50 21.488 11.212 -15.996 1.00 0.00 C ATOM 611 C LYS A 50 20.676 11.950 -14.942 1.00 0.00 C ATOM 612 O LYS A 50 19.470 11.727 -14.803 1.00 0.00 O ATOM 613 CB LYS A 50 21.378 9.705 -15.766 1.00 0.00 C ATOM 614 CG LYS A 50 22.122 8.862 -16.787 1.00 0.00 C ATOM 615 CD LYS A 50 21.520 8.997 -18.170 1.00 0.00 C ATOM 616 CE LYS A 50 22.271 8.147 -19.175 1.00 0.00 C ATOM 617 NZ LYS A 50 21.618 8.158 -20.502 1.00 0.00 N ATOM 0 H LYS A 50 23.482 11.096 -15.338 1.00 0.00 H new ATOM 0 HA LYS A 50 21.088 11.450 -16.982 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.760 9.472 -14.772 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.325 9.423 -15.777 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.169 9.164 -16.815 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.100 7.816 -16.481 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.472 8.697 -18.145 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.545 10.041 -18.481 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.293 8.514 -19.270 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.333 7.122 -18.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.162 7.565 -21.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.651 7.784 -20.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.581 9.133 -20.863 1.00 0.00 H new ATOM 631 N GLU A 51 21.352 12.824 -14.204 1.00 0.00 N ATOM 632 CA GLU A 51 20.744 13.624 -13.143 1.00 0.00 C ATOM 633 C GLU A 51 20.231 12.758 -11.999 1.00 0.00 C ATOM 634 O GLU A 51 19.027 12.708 -11.728 1.00 0.00 O ATOM 635 CB GLU A 51 19.626 14.519 -13.674 1.00 0.00 C ATOM 636 CG GLU A 51 20.083 15.556 -14.677 1.00 0.00 C ATOM 637 CD GLU A 51 18.974 16.503 -15.043 1.00 0.00 C ATOM 638 OE1 GLU A 51 18.989 17.661 -14.560 1.00 0.00 O ATOM 639 OE2 GLU A 51 18.066 16.092 -15.791 1.00 0.00 O ATOM 0 H GLU A 51 22.349 13.000 -14.326 1.00 0.00 H new ATOM 0 HA GLU A 51 21.534 14.265 -12.752 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.864 13.893 -14.138 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.153 15.027 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.920 16.118 -14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.447 15.058 -15.575 1.00 0.00 H new ATOM 646 N CYS A 52 21.138 12.068 -11.355 1.00 0.00 N ATOM 647 CA CYS A 52 20.816 11.259 -10.207 1.00 0.00 C ATOM 648 C CYS A 52 21.835 11.505 -9.117 1.00 0.00 C ATOM 649 O CYS A 52 22.961 11.915 -9.394 1.00 0.00 O ATOM 650 CB CYS A 52 20.787 9.791 -10.583 1.00 0.00 C ATOM 651 SG CYS A 52 22.266 9.228 -11.433 1.00 0.00 S ATOM 0 H CYS A 52 22.125 12.052 -11.613 1.00 0.00 H new ATOM 0 HA CYS A 52 19.827 11.534 -9.842 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.651 9.197 -9.679 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.921 9.606 -11.219 1.00 0.00 H new ATOM 656 N THR A 53 21.447 11.275 -7.889 1.00 0.00 N ATOM 657 CA THR A 53 22.324 11.507 -6.769 1.00 0.00 C ATOM 658 C THR A 53 22.219 10.373 -5.756 1.00 0.00 C ATOM 659 O THR A 53 22.027 10.598 -4.553 1.00 0.00 O ATOM 660 CB THR A 53 21.979 12.833 -6.086 1.00 0.00 C ATOM 661 OG1 THR A 53 20.561 12.916 -5.863 1.00 0.00 O ATOM 662 CG2 THR A 53 22.436 14.022 -6.920 1.00 0.00 C ATOM 0 H THR A 53 20.523 10.925 -7.638 1.00 0.00 H new ATOM 0 HA THR A 53 23.346 11.551 -7.147 1.00 0.00 H new ATOM 0 HB THR A 53 22.504 12.864 -5.131 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.348 13.766 -5.424 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.176 14.948 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.516 13.975 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.944 13.995 -7.892 1.00 0.00 H new ATOM 670 N GLY A 54 22.352 9.162 -6.242 1.00 0.00 N ATOM 671 CA GLY A 54 22.234 8.008 -5.390 1.00 0.00 C ATOM 672 C GLY A 54 21.247 7.011 -5.948 1.00 0.00 C ATOM 673 O GLY A 54 20.464 7.352 -6.830 1.00 0.00 O ATOM 0 H GLY A 54 22.542 8.953 -7.222 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.209 7.534 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.916 8.319 -4.395 1.00 0.00 H new ATOM 677 N PRO A 55 21.251 5.763 -5.446 1.00 0.00 N ATOM 678 CA PRO A 55 20.363 4.696 -5.942 1.00 0.00 C ATOM 679 C PRO A 55 18.872 5.045 -5.851 1.00 0.00 C ATOM 680 O PRO A 55 18.053 4.466 -6.564 1.00 0.00 O ATOM 681 CB PRO A 55 20.692 3.493 -5.039 1.00 0.00 C ATOM 682 CG PRO A 55 21.408 4.072 -3.862 1.00 0.00 C ATOM 683 CD PRO A 55 22.126 5.287 -4.365 1.00 0.00 C ATOM 0 HA PRO A 55 20.531 4.512 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.785 2.972 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.315 2.767 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.706 4.335 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.109 3.352 -3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.247 6.037 -3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.124 5.044 -4.731 1.00 0.00 H new ATOM 691 N ASP A 56 18.528 5.998 -4.995 1.00 0.00 N ATOM 692 CA ASP A 56 17.132 6.399 -4.824 1.00 0.00 C ATOM 693 C ASP A 56 16.651 7.229 -6.003 1.00 0.00 C ATOM 694 O ASP A 56 15.543 7.039 -6.498 1.00 0.00 O ATOM 695 CB ASP A 56 16.938 7.186 -3.526 1.00 0.00 C ATOM 696 CG ASP A 56 17.228 6.367 -2.293 1.00 0.00 C ATOM 697 OD1 ASP A 56 16.429 5.462 -1.973 1.00 0.00 O ATOM 698 OD2 ASP A 56 18.253 6.632 -1.628 1.00 0.00 O ATOM 0 H ASP A 56 19.190 6.507 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 56 16.538 5.486 -4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.589 8.060 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.913 7.553 -3.479 1.00 0.00 H new ATOM 703 N SER A 57 17.493 8.134 -6.465 1.00 0.00 N ATOM 704 CA SER A 57 17.133 9.007 -7.571 1.00 0.00 C ATOM 705 C SER A 57 17.694 8.484 -8.888 1.00 0.00 C ATOM 706 O SER A 57 17.512 9.092 -9.946 1.00 0.00 O ATOM 707 CB SER A 57 17.636 10.422 -7.299 1.00 0.00 C ATOM 708 OG SER A 57 19.000 10.412 -6.919 1.00 0.00 O ATOM 0 H SER A 57 18.431 8.285 -6.093 1.00 0.00 H new ATOM 0 HA SER A 57 16.047 9.026 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.508 11.035 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.038 10.879 -6.510 1.00 0.00 H new ATOM 0 HG SER A 57 19.223 11.258 -6.478 1.00 0.00 H new ATOM 714 N CYS A 58 18.368 7.358 -8.816 1.00 0.00 N ATOM 715 CA CYS A 58 18.969 6.754 -9.983 1.00 0.00 C ATOM 716 C CYS A 58 17.967 5.870 -10.716 1.00 0.00 C ATOM 717 O CYS A 58 17.296 5.025 -10.105 1.00 0.00 O ATOM 718 CB CYS A 58 20.194 5.936 -9.579 1.00 0.00 C ATOM 719 SG CYS A 58 21.011 5.093 -10.947 1.00 0.00 S ATOM 0 H CYS A 58 18.514 6.838 -7.951 1.00 0.00 H new ATOM 0 HA CYS A 58 19.279 7.551 -10.659 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.913 6.596 -9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.893 5.194 -8.839 1.00 0.00 H new ATOM 724 N LYS A 59 17.859 6.078 -12.015 1.00 0.00 N ATOM 725 CA LYS A 59 16.974 5.287 -12.858 1.00 0.00 C ATOM 726 C LYS A 59 17.788 4.540 -13.900 1.00 0.00 C ATOM 727 O LYS A 59 17.240 3.905 -14.800 1.00 0.00 O ATOM 728 CB LYS A 59 15.950 6.189 -13.556 1.00 0.00 C ATOM 729 CG LYS A 59 15.075 6.987 -12.607 1.00 0.00 C ATOM 730 CD LYS A 59 14.223 6.084 -11.733 1.00 0.00 C ATOM 731 CE LYS A 59 13.360 6.891 -10.782 1.00 0.00 C ATOM 732 NZ LYS A 59 12.438 7.806 -11.502 1.00 0.00 N ATOM 0 H LYS A 59 18.380 6.797 -12.517 1.00 0.00 H new ATOM 0 HA LYS A 59 16.443 4.572 -12.230 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.479 6.880 -14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.312 5.573 -14.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.703 7.617 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.430 7.653 -13.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.589 5.459 -12.362 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.866 5.413 -11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.781 6.213 -10.155 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.000 7.471 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.714 8.157 -10.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.976 8.609 -11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.978 7.293 -12.281 1.00 0.00 H new ATOM 746 N CYS A 60 19.094 4.618 -13.762 1.00 0.00 N ATOM 747 CA CYS A 60 20.009 3.997 -14.697 1.00 0.00 C ATOM 748 C CYS A 60 20.057 2.491 -14.487 1.00 0.00 C ATOM 749 O CYS A 60 19.778 1.996 -13.386 1.00 0.00 O ATOM 750 CB CYS A 60 21.398 4.587 -14.508 1.00 0.00 C ATOM 751 SG CYS A 60 21.401 6.375 -14.283 1.00 0.00 S ATOM 0 H CYS A 60 19.552 5.114 -12.998 1.00 0.00 H new ATOM 0 HA CYS A 60 19.659 4.190 -15.711 1.00 0.00 H new ATOM 0 HB2 CYS A 60 21.867 4.120 -13.642 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.010 4.338 -15.375 1.00 0.00 H new ATOM 756 N GLY A 61 20.409 1.770 -15.537 1.00 0.00 N ATOM 757 CA GLY A 61 20.517 0.336 -15.445 1.00 0.00 C ATOM 758 C GLY A 61 21.865 -0.094 -14.904 1.00 0.00 C ATOM 759 O GLY A 61 22.548 0.677 -14.224 1.00 0.00 O ATOM 0 H GLY A 61 20.623 2.157 -16.456 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.727 -0.047 -14.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.364 -0.104 -16.431 1.00 0.00 H new ATOM 763 N SER A 62 22.263 -1.305 -15.219 1.00 0.00 N ATOM 764 CA SER A 62 23.517 -1.845 -14.733 1.00 0.00 C ATOM 765 C SER A 62 24.686 -1.474 -15.649 1.00 0.00 C ATOM 766 O SER A 62 25.849 -1.695 -15.307 1.00 0.00 O ATOM 767 CB SER A 62 23.405 -3.361 -14.617 1.00 0.00 C ATOM 768 OG SER A 62 22.967 -3.921 -15.848 1.00 0.00 O ATOM 0 H SER A 62 21.733 -1.941 -15.815 1.00 0.00 H new ATOM 0 HA SER A 62 23.717 -1.412 -13.753 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.371 -3.783 -14.341 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.705 -3.621 -13.823 1.00 0.00 H new ATOM 0 HG SER A 62 22.275 -4.593 -15.674 1.00 0.00 H new ATOM 774 N SER A 63 24.379 -0.900 -16.800 1.00 0.00 N ATOM 775 CA SER A 63 25.406 -0.560 -17.766 1.00 0.00 C ATOM 776 C SER A 63 25.505 0.951 -17.971 1.00 0.00 C ATOM 777 O SER A 63 25.288 1.461 -19.074 1.00 0.00 O ATOM 778 CB SER A 63 25.123 -1.265 -19.089 1.00 0.00 C ATOM 779 OG SER A 63 24.902 -2.655 -18.878 1.00 0.00 O ATOM 0 H SER A 63 23.430 -0.661 -17.086 1.00 0.00 H new ATOM 0 HA SER A 63 26.366 -0.899 -17.377 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.249 -0.820 -19.565 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.963 -1.124 -19.770 1.00 0.00 H new ATOM 0 HG SER A 63 24.720 -3.091 -19.736 1.00 0.00 H new ATOM 785 N CYS A 64 25.805 1.665 -16.905 1.00 0.00 N ATOM 786 CA CYS A 64 25.978 3.093 -16.988 1.00 0.00 C ATOM 787 C CYS A 64 27.326 3.510 -16.410 1.00 0.00 C ATOM 788 O CYS A 64 27.996 2.722 -15.734 1.00 0.00 O ATOM 789 CB CYS A 64 24.852 3.807 -16.262 1.00 0.00 C ATOM 790 SG CYS A 64 24.862 5.599 -16.489 1.00 0.00 S ATOM 0 H CYS A 64 25.933 1.275 -15.971 1.00 0.00 H new ATOM 0 HA CYS A 64 25.952 3.377 -18.040 1.00 0.00 H new ATOM 0 HB2 CYS A 64 23.898 3.411 -16.611 1.00 0.00 H new ATOM 0 HB3 CYS A 64 24.920 3.584 -15.197 1.00 0.00 H new ATOM 795 N SER A 65 27.701 4.755 -16.661 1.00 0.00 N ATOM 796 CA SER A 65 28.965 5.303 -16.207 1.00 0.00 C ATOM 797 C SER A 65 29.057 5.303 -14.676 1.00 0.00 C ATOM 798 O SER A 65 30.136 5.123 -14.113 1.00 0.00 O ATOM 799 CB SER A 65 29.138 6.727 -16.755 1.00 0.00 C ATOM 800 OG SER A 65 30.409 7.267 -16.422 1.00 0.00 O ATOM 0 H SER A 65 27.131 5.416 -17.189 1.00 0.00 H new ATOM 0 HA SER A 65 29.769 4.671 -16.585 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.019 6.717 -17.838 1.00 0.00 H new ATOM 0 HB3 SER A 65 28.353 7.369 -16.354 1.00 0.00 H new ATOM 0 HG SER A 65 30.485 8.173 -16.788 1.00 0.00 H new ATOM 806 N CYS A 66 27.924 5.485 -14.006 1.00 0.00 N ATOM 807 CA CYS A 66 27.911 5.526 -12.549 1.00 0.00 C ATOM 808 C CYS A 66 27.737 4.124 -11.951 1.00 0.00 C ATOM 809 O CYS A 66 27.305 3.975 -10.803 1.00 0.00 O ATOM 810 CB CYS A 66 26.812 6.478 -12.043 1.00 0.00 C ATOM 811 SG CYS A 66 25.117 5.940 -12.377 1.00 0.00 S ATOM 0 H CYS A 66 27.011 5.605 -14.444 1.00 0.00 H new ATOM 0 HA CYS A 66 28.877 5.908 -12.217 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.931 6.606 -10.967 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.963 7.457 -12.499 1.00 0.00 H new ATOM 816 N LYS A 67 28.079 3.093 -12.727 1.00 0.00 N ATOM 817 CA LYS A 67 27.977 1.708 -12.251 1.00 0.00 C ATOM 818 C LYS A 67 29.347 1.047 -12.216 1.00 0.00 C ATOM 819 O LYS A 67 30.057 1.238 -11.196 1.00 0.00 O ATOM 820 CB LYS A 67 27.023 0.885 -13.131 1.00 0.00 C ATOM 821 CG LYS A 67 25.664 1.530 -13.344 1.00 0.00 C ATOM 822 CD LYS A 67 25.045 1.972 -12.032 1.00 0.00 C ATOM 823 CE LYS A 67 23.781 2.770 -12.262 1.00 0.00 C ATOM 824 NZ LYS A 67 23.443 3.596 -11.086 1.00 0.00 N ATOM 0 H LYS A 67 28.427 3.188 -13.681 1.00 0.00 H new ATOM 0 HA LYS A 67 27.573 1.739 -11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.492 0.721 -14.101 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.881 -0.095 -12.676 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.768 2.390 -14.006 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.999 0.824 -13.841 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.820 1.098 -11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.762 2.575 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.908 3.411 -13.134 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.956 2.092 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.450 3.900 -11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.580 3.038 -10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.060 4.433 -11.060 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 17.157 -7.732 -10.585 1.00 0.00 CD HETATM 840 CD CD A 102 18.407 -7.918 -6.698 1.00 0.00 CD HETATM 841 CD CD A 103 21.054 -8.081 -9.633 1.00 0.00 CD HETATM 842 CD CD A 104 23.088 6.743 -10.813 1.00 0.00 CD HETATM 843 CD CD A 105 24.033 6.831 -14.408 1.00 0.00 CD HETATM 844 CD CD A 106 24.266 10.355 -12.402 1.00 0.00 CD